ethyl 4-bromanyl-1-(2,4-dinitrophenyl)-5-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-1-(2,4-dinitrophenyl)-5-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-bromo-1-(2,4-dinitrophenyl)-5-methyl-pyrazole-3-carboxylate CAS Name: 4-bromo-1-(2,4-dinitrophenyl)-5-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-1-(2,4-dinitrophenyl)-5-methylpyrazole-3-carboxylate Traditional Name: 4-bromo-1-(2,4-dinitrophenyl)-5-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C13H11BrN4O6 MolecularWeight: 399.15364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1Br)C)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1Br)C)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11BrN4O6/c1-3-24-13(19)12-11(14)7(2)16(15-12)9-5-4-8(17(20)21)6-10(9)18(22)23/h4-6H,3H2,1-2H3